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The two‐parameter taft equation in kinetics of free radical reactions
Author(s) -
Afanas'Ev I. B.
Publication year - 1975
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550070607
Subject(s) - chemistry , taft equation , radical , substituent , reaction rate constant , kinetics , thermodynamics , substitution (logic) , computational chemistry , organic chemistry , quantum mechanics , physics , computer science , programming language
A new method was developed for the calculation of the resonance substituent constants of the two‐parameter Taft equation log k sub / k 0 =ρ*σ*+ r *σ r . It is based on a relationship between the spin density in free radicals and the rate constants of radical substitution reactions of CH 3 . Possibilities and limitations of the application of this correlation equation to the investigation of substitution and addition radical reactions are discussed.